1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C17H26N4O2 — CID 53193236

IUPAC1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCCC1CCCCN1C(=O)CN1CCn2c1nc(C)c(C)c2=O
InChIInChI=1S/C17H26N4O2/c1-4-14-7-5-6-8-20(14)15(22)11-19-9-10-21-16(23)12(2)13(3)18-17(19)21/h14H,4-11H2,1-3H3
InChIKeyGQUHSKUCPPJKOS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 53193236) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID53193236
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCCC1CCCCN1C(=O)CN1CCn2c1nc(C)c(C)c2=O
InChIInChI=1S/C17H26N4O2/c1-4-14-7-5-6-8-20(14)15(22)11-19-9-10-21-16(23)12(2)13(3)18-17(19)21/h14H,4-11H2,1-3H3
InChIKeyGQUHSKUCPPJKOS-UHFFFAOYSA-N
XLogP1.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 53193236) is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is CCC1CCCCN1C(=O)CN1CCn2c1nc(C)c(C)c2=O.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is GQUHSKUCPPJKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-14-7-5-6-8-20(14)15(22)11-19-9-10-21-16(23)12(2)13(3)18-17(19)21/h14H,4-11H2,1-3H3.
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 318.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 53193236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).